[4-[(3-chloranylpropylsulfonylamino)methyl]-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate

Systemtic Name: [4-[(3-chloranylpropylsulfonylamino)methyl]-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Openeye Name: [3-[(3-chloropropylsulfonylamino)methyl]-1-methyl-4-(octadecylcarbamoyloxy)butyl] benzoate CAS Name: benzoic acid [4-[(3-chloropropylsulfonylamino)methyl]-5-[(octadecylamino)-oxomethoxy]pentan-2-yl] ester IUPAC Name: [4-[(3-chloropropylsulfonylamino)methyl]-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Traditional Name: benzoic acid [3-[(3-chloropropylsulfonylamino)methyl]-1-methyl-4-(stearylcarbamoyloxy)butyl] ester Formula: C35H61ClN2O6S MolecularWeight: 673.38664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

InChI

InChI=1S/C35H61ClN2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-37-35(40)43-30-32(29-38-45(41,42)27-22-25-36)28-31(2)44-34(39)33-23-19-18-20-24-33/h18-20,23-24,31-32,38H,3-17,21-22,25-30H2,1-2H3,(H,37,40)